4-heptoxy-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C29H33N3O4S/c1-2-3-4-5-9-19-35-26-17-15-22(16-18-26)28(34)32-29(37)31-24-12-10-11-23(20-24)30-27(33)21-36-25-13-7-6-8-14-25/h6-8,10-18,20H,2-5,9,19,21H2,1H3,(H,30,33)(H2,31,32,34,37)